Marvin  02031117292D          

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   15.0204  -12.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  0  0  0  0
  5  2  1  0  0  0  0
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  6  4  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
> <ID>
CHEBI:61203

> <NAME>
anileridine

> <DEFINITION>
A piperidinecarboxylate ester that is the ethyl ester of isonipecotic acid in which the hydrogen α- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group.

> <STAR>
3

> <SYNONYM>
N-beta-(p-aminophenyl)ethylnormeperidine; N-(beta-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine; ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate; ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate; ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylate; 1-[2-(4-aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlic acid ethyl ester

> <IUPAC_NAME>
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate

> <INN>
anileridinum; anileridine; anileridina

> <FORMULA>
C22H28N2O2

> <MASS>
352.46990

> <MONOISOTOPIC_MASS>
352.21508

> <CHARGE>
0

> <SMILES>
CCOC(=O)C1(CCN(CCc2ccc(N)cc2)CC1)c1ccccc1

> <INCHI>
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3

> <INCHIKEY>
LKYQLAWMNBFNJT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
144-14-9

> <REAXYS_REGISTRY_NUMBER>
331255

> <CHEMIDPLUS>
144-14-9

> <DRUGBANK_ACCESSION>
DB00913

> <KEGG_DRUG_ACCESSION>
D02941

> <NIST_CHEMISTRY_WEBBOOK>
144-14-9

> <WIKIPEDIA_ACCESSION>
Anileridine

> <PUBMED_CITATION>
581295; 779391; 779392

$$$$